4-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H24FN6S+ MolecularWeight: 411.518863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=NC=C5

InChI

InChI=1S/C21H23FN6S/c22-17-1-3-18(4-2-17)26-13-11-25(12-14-26)15-27-21(29)28(19-5-6-19)20(24-27)16-7-9-23-10-8-16/h1-4,7-10,19H,5-6,11-15H2/p+1